1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropan-1-imine

C10H18F2N2 — CID 164645620

IUPAC1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropan-1-imine
SMILES[H]/N=C(\N1CCC(F)(F)CC1)C(C)(C)C
InChIInChI=1S/C10H18F2N2/c1-9(2,3)8(13)14-6-4-10(11,12)5-7-14/h13H,4-7H2,1-3H3/b13-8-
InChIKeyBPEXVZUKAXYDKE-JYRVWZFOSA-N
MW204.26 g/mol
LogP2.74
Rot. Bonds

About 1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropan-1-imine

1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropan-1-imine (PubChem CID 164645620) has the molecular formula C10H18F2N2 and a molecular weight of 204.26 g/mol. Its IUPAC name is 1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropan-1-imine.

Molecular Properties

Compound Name1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropan-1-imine
PubChem CID164645620
Molecular FormulaC10H18F2N2
Molecular Weight204.26 g/mol
Exact Mass204.14
IUPAC Name1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropan-1-imine
SMILES[H]/N=C(\N1CCC(F)(F)CC1)C(C)(C)C
InChIInChI=1S/C10H18F2N2/c1-9(2,3)8(13)14-6-4-10(11,12)5-7-14/h13H,4-7H2,1-3H3/b13-8-
InChIKeyBPEXVZUKAXYDKE-JYRVWZFOSA-N
XLogP2.74
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropan-1-imine?
The IUPAC name of 1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropan-1-imine (CID 164645620) is 1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropan-1-imine.
What is the SMILES notation for 1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropan-1-imine?
The canonical SMILES for 1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropan-1-imine is [H]/N=C(\N1CCC(F)(F)CC1)C(C)(C)C.
What is the InChIKey of 1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropan-1-imine?
The InChIKey is BPEXVZUKAXYDKE-JYRVWZFOSA-N. The full InChI is InChI=1S/C10H18F2N2/c1-9(2,3)8(13)14-6-4-10(11,12)5-7-14/h13H,4-7H2,1-3H3/b13-8-.
What are the key properties of 1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropan-1-imine?
1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropan-1-imine has a molecular weight of 204.26 g/mol, XLogP of 2.74, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropan-1-imine is sourced from PubChem (CID 164645620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).